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PUBCHEM-ZINC02002256

 MMsINC code: MMs02844129
Type: Neutral
Formula: C6H3Cl3O3
SMILES:   Clc1c(O)c(O)c(O)c(Cl)c1Cl
InChI:   InChI=1/C6H3Cl3O3/c7-1-2(8)4(10)6(12)5(11)3(1)9/h10-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.3557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.446 g/mol  logS: -2.5019  SlogP: 2.7636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0345186  Sterimol/B1: 2.18605  Sterimol/B2: 2.49632  Sterimol/B3: 3.13035
  Sterimol/B4: 6.52325  Sterimol/L: 9.42854 
 
 Surface and Volume Properties
  Accessible surface: 349.149  Positive charged surface: 125.635  Negative charged surface: 223.514  Volume: 155.75
  Hydrophobic surface: 215.412  Hydrophilic surface: 133.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.